N-[4-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide

C19H26N4O3S2 — CID 55453096

About N-[4-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide

N-[4-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (PubChem CID 55453096) has the molecular formula C19H26N4O3S2 and a molecular weight of 422.58 g/mol. Its IUPAC name is N-[4-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
• PubChem CID: 55453096
• Molecular Formula: C19H26N4O3S2
• Molecular Weight: 422.58 g/mol
• Exact Mass: 422.14
• IUPAC Name: N-[4-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
• SMILES: CC(C)CN1CCOC(CNC(=O)Cc2csc(NC(=O)c3cccs3)n2)C1
• InChI: InChI=1S/C19H26N4O3S2/c1-13(2)10-23-5-6-26-15(11-23)9-20-17(24)8-14-12-28-19(21-14)22-18(25)16-4-3-7-27-16/h3-4,7,12-13,15H,5-6,8-11H2,1-2H3,(H,20,24)(H,21,22,25)
• InChIKey: HDHOGUGDQFMKID-UHFFFAOYSA-N
• XLogP: 2.47
• TPSA: 83.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.58
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?

The IUPAC name of N-[4-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (CID 55453096) is N-[4-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.

What is the SMILES notation for N-[4-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?

The canonical SMILES for N-[4-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is CC(C)CN1CCOC(CNC(=O)Cc2csc(NC(=O)c3cccs3)n2)C1.

What is the InChIKey of N-[4-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?

The InChIKey is HDHOGUGDQFMKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S2/c1-13(2)10-23-5-6-26-15(11-23)9-20-17(24)8-14-12-28-19(21-14)22-18(25)16-4-3-7-27-16/h3-4,7,12-13,15H,5-6,8-11H2,1-2H3,(H,20,24)(H,21,22,25).

What are the key properties of N-[4-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?

N-[4-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 422.58 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 55453096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).